2-Chloro-6-(trifluoromethyl)pyrimidine-4,5-diamine
TL;DR: 2-Chloro-6-(trifluoromethyl)pyrimidine-4,5-diamine (CAS 91086-74-7) is a chemical compound with molecular formula C5H4ClF3N4 and molecular weight 212.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-6-(trifluoromethyl)pyrimidine-4,5-diamine
Also Known As: 2-chloro-6-(trifluoromethyl)pyrimidine-4,5-diamine, 2-chloro-6-trifluoromethyl-pyrimidine-4,5-diamine, 4,5-diamino-2-chloro-6-trifluoromethylpyrimidine
| Molecular Formula | C5H4ClF3N4 |
|---|---|
| Molecular Weight | 212.01 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 212.00766 |
| Heavy Atoms | 13 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 91086-74-7 |
|---|---|
| SMILES | C1(=C(N=C(N=C1N)Cl)C(F)(F)F)N |
| InChIKey | VKQHUGOEOGTPAI-UHFFFAOYSA-N |
Product Overview
2-Chloro-6-(trifluoromethyl)pyrimidine-4,5-diamine (CAS 91086-74-7), with molecular formula C5H4ClF3N4 and molecular weight 212.01 g/mol. IUPAC: 2-chloro-6-(trifluoromethyl)pyrimidine-4,5-diamine.
Chemical Property Profile of 2-Chloro-6-(trifluoromethyl)pyrimidine-4,5-diamine
Property Insights of 2-Chloro-6-(trifluoromethyl)pyrimidine-4,5-diamine
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-6-(trifluoromethyl)pyrimidine-4,5-diamine. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-6-(trifluoromethyl)pyrimidine-4,5-diamine. Following Lipinski's Rule of Five, 2-Chloro-6-(trifluoromethyl)pyrimidine-4,5-diamine has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Chloro-6-(trifluoromethyl)pyrimidine-4,5-diamine?
The CAS number of 2-Chloro-6-(trifluoromethyl)pyrimidine-4,5-diamine is 91086-74-7.
What is the molecular formula of 2-Chloro-6-(trifluoromethyl)pyrimidine-4,5-diamine?
The molecular formula of 2-Chloro-6-(trifluoromethyl)pyrimidine-4,5-diamine is C5H4ClF3N4.
What is the molecular weight of 2-Chloro-6-(trifluoromethyl)pyrimidine-4,5-diamine?
The molecular weight of 2-Chloro-6-(trifluoromethyl)pyrimidine-4,5-diamine is 212.01 g/mol.
Where can I buy 2-Chloro-6-(trifluoromethyl)pyrimidine-4,5-diamine?
You can request a quote for 2-Chloro-6-(trifluoromethyl)pyrimidine-4,5-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-6-(trifluoromethyl)pyrimidine-4,5-diamine?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-6-(trifluoromethyl)pyrimidine-4,5-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.